#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a74 s GLU 731 N 0.00 3.85 0.00 -1.24 8.01 -1.26 -4.33 118.70 123.73 2a74 s GLU 731 Ca 0.00 1.69 0.00 0.00 0.01 0.00 0.00 54.97 56.67 2a74 s GLU 731 Cb 0.00 -4.01 0.00 0.00 -4.31 0.00 0.00 34.13 25.81 2a74 s GLU 731 CO 0.00 -1.23 0.00 -3.47 0.01 0.00 0.00 175.26 170.57 2a74 n ASP 732 N 8.24 -1.67 -3.64 -0.19 -0.08 -1.26 -4.87 116.55 113.09 2a74 n ASP 732 Ca 0.18 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.36 2a74 n ASP 732 Cb 0.45 -0.42 -0.07 0.00 2.34 0.00 0.00 41.12 43.42 2a74 n ASP 732 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2a74 s ILE 733 N -2.73 0.00 0.24 5.18 2.07 -1.26 -1.59 121.20 123.11 2a74 s ILE 733 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 2a74 s ILE 733 Cb 0.00 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.46 2a74 s ILE 733 CO 0.00 0.00 1.45 -0.38 -1.91 0.00 0.00 174.94 174.10 2a74 n ILE 734 N 2.85 0.83 -2.41 2.00 5.41 -1.26 -4.83 119.36 121.95 2a74 n ILE 734 Ca -0.15 -0.21 -0.36 0.00 1.00 0.00 0.00 62.75 63.03 2a74 n ILE 734 Cb 0.56 -1.54 -0.02 0.00 -0.71 0.00 0.00 39.64 37.92 2a74 n ILE 734 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2a74 s ALA 735 N 0.08 2.98 0.28 -1.39 0.00 -1.26 -4.88 121.76 117.57 2a74 s ALA 735 Ca 0.69 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.46 2a74 s ALA 735 Cb -0.63 -3.32 0.64 0.00 0.00 0.00 0.00 23.12 19.80 2a74 s ALA 735 CO 0.48 -0.44 1.76 1.49 0.00 0.00 0.00 175.76 179.05 2a74 h GLU 736 N 2.10 0.65 0.00 0.00 4.22 -1.96 -0.86 114.58 118.73 2a74 h GLU 736 Ca -0.49 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.91 2a74 h GLU 736 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2a74 h GLU 736 CO 0.61 0.43 0.00 0.93 -2.18 0.00 0.00 179.01 178.80 2a74 h GLU 737 N 0.67 0.00 -0.00 1.92 3.07 -2.03 -2.50 114.58 115.71 2a74 h GLU 737 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 2a74 h GLU 737 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2a74 h GLU 737 CO -0.38 0.00 -0.15 0.09 -1.40 0.00 0.00 179.01 177.17 2a74 n ASN 738 N -2.97 0.57 -4.63 1.42 5.03 -0.33 -4.80 115.26 109.54 2a74 n ASN 738 Ca 0.02 -0.59 -0.40 0.00 0.87 0.00 0.00 54.58 54.48 2a74 n ASN 738 Cb 0.34 -0.03 -0.07 0.00 -1.02 0.00 0.00 39.78 39.00 2a74 n ASN 738 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a74 s ILE 739 N -2.52 5.07 -0.39 2.41 1.01 -0.94 -4.99 121.20 120.84 2a74 s ILE 739 Ca 0.27 0.95 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 2a74 s ILE 739 Cb 0.20 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2a74 s ILE 739 CO 0.49 0.11 0.45 -0.69 0.00 0.00 0.00 174.94 175.30 2a74 s VAL 740 N 2.11 5.07 0.44 2.92 1.01 -1.26 -4.99 120.40 125.69 2a74 s VAL 740 Ca 0.23 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 2a74 s VAL 740 Cb -0.16 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2a74 s VAL 740 CO 0.09 -0.32 1.27 -0.44 0.00 0.00 0.00 175.10 175.71 2a74 s SER 741 N 1.80 6.12 0.32 3.32 0.01 -1.26 -4.53 113.70 119.49 2a74 s SER 741 Ca 0.14 2.58 -0.29 0.00 1.31 0.00 0.00 55.95 59.69 2a74 s SER 741 Cb -0.16 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.34 2a74 s SER 741 CO 0.14 -0.97 1.31 -0.13 0.41 0.00 0.00 173.24 173.99 2a74 s ARG 742 N -2.45 4.36 0.00 12.44 0.52 0.28 -4.80 118.95 129.30 2a74 s ARG 742 Ca 0.61 2.20 0.00 0.00 -0.52 0.00 0.00 55.73 58.02 2a74 s ARG 742 Cb -0.36 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.03 2a74 s ARG 742 CO 0.45 -0.19 0.00 -1.13 0.02 0.00 0.00 175.30 174.45 2a74 n SER 743 N 0.93 0.00 -4.37 0.23 3.41 -1.26 -1.32 113.62 111.24 2a74 n SER 743 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 2a74 n SER 743 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2a74 n SER 743 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2a74 s GLU 744 N 0.00 3.14 -0.43 4.33 2.02 -1.26 -4.91 118.70 121.59 2a74 s GLU 744 Ca 0.00 -1.52 0.09 0.00 0.02 0.00 0.00 54.97 53.56 2a74 s GLU 744 Cb 0.00 -4.34 0.41 0.00 0.10 0.00 0.00 34.13 30.30 2a74 s GLU 744 CO 0.00 -1.51 1.00 1.19 0.02 0.00 0.00 175.26 175.95 2a74 n PHE 745 N 5.99 2.62 -2.29 1.61 3.72 -1.26 -0.50 117.46 127.36 2a74 n PHE 745 Ca -0.05 -3.29 -0.35 0.00 -0.05 0.00 0.00 57.45 53.71 2a74 n PHE 745 Cb 0.43 -0.27 -0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2a74 n PHE 745 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2a74 s PRO 746 N -3.30 3.42 0.19 -1.08 0.04 -1.26 -4.95 135.00 128.06 2a74 s PRO 746 Ca 0.42 1.56 0.10 0.00 0.04 0.00 0.00 61.00 63.12 2a74 s PRO 746 Cb 0.39 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2a74 s PRO 746 CO -0.11 -0.78 1.38 0.93 0.04 0.00 0.00 177.00 178.46 2a74 h GLU 747 N 1.22 0.00 -3.67 4.56 5.08 -2.05 -3.46 114.58 116.26 2a74 h GLU 747 Ca -0.50 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 2a74 h GLU 747 Cb 1.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.33 2a74 h GLU 747 CO 0.57 0.79 -0.45 -1.54 -1.00 0.00 0.00 179.01 177.38 2a74 s SER 748 N -6.63 0.10 0.00 1.42 1.04 -1.26 -5.09 113.70 103.28 2a74 s SER 748 Ca 0.02 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2a74 s SER 748 Cb 0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2a74 s SER 748 CO 0.79 -0.54 0.00 -2.67 0.98 0.00 0.00 173.24 171.80 2a74 n TRP 749 N 0.70 -0.57 -2.93 5.02 4.27 -1.26 -4.99 117.44 117.69 2a74 n TRP 749 Ca -0.19 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.21 2a74 n TRP 749 Cb 0.59 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.55 2a74 n TRP 749 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2a74 n LEU 750 N 0.00 -2.03 -4.58 5.67 7.94 -1.26 -4.88 117.00 117.87 2a74 n LEU 750 Ca 0.00 -0.20 -0.40 0.00 -1.11 0.00 0.00 56.01 54.31 2a74 n LEU 750 Cb 0.00 -2.61 -0.02 0.00 0.53 0.00 0.00 43.42 41.32 2a74 n LEU 750 CO 0.00 0.09 1.79 0.86 -1.11 0.00 0.00 177.39 179.02 2a74 s TRP 751 N -3.00 2.58 0.08 1.96 -0.11 -1.26 -4.91 118.94 114.27 2a74 s TRP 751 Ca 0.24 -1.09 0.07 0.00 1.22 0.00 0.00 56.10 56.53 2a74 s TRP 751 Cb -0.11 -4.61 -0.03 0.00 -1.50 0.00 0.00 33.47 27.22 2a74 s TRP 751 CO 0.29 -1.74 -0.18 -0.80 -4.62 0.00 0.00 176.95 169.90 2a74 s ASN 752 N 4.84 2.11 -0.12 5.86 0.01 -1.26 -5.14 114.94 121.24 2a74 s ASN 752 Ca 0.55 -0.62 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 2a74 s ASN 752 Cb 0.02 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.57 2a74 s ASN 752 CO 0.05 0.02 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.76 2a74 s VAL 753 N -1.13 2.29 -0.08 1.60 1.01 -1.26 -5.11 120.40 117.72 2a74 s VAL 753 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 2a74 s VAL 753 Cb -0.10 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.41 2a74 s VAL 753 CO 0.03 0.55 0.18 -1.61 0.00 0.00 0.00 175.10 174.25 2a74 s GLU 754 N 0.49 0.16 0.07 2.72 0.41 -1.26 -5.15 118.70 116.13 2a74 s GLU 754 Ca -0.14 0.38 -0.23 0.00 -0.41 0.00 0.00 54.97 54.57 2a74 s GLU 754 Cb -0.17 -0.08 -0.06 0.00 -1.78 0.00 0.00 34.13 32.03 2a74 s GLU 754 CO 0.05 -0.12 0.71 -0.51 -0.49 0.00 0.00 175.26 174.90 2a74 s ASP 755 N 0.89 7.19 -1.27 -0.19 1.01 -1.26 -5.00 116.67 118.05 2a74 s ASP 755 Ca -0.07 1.42 -0.16 0.00 0.71 0.00 0.00 52.55 54.45 2a74 s ASP 755 Cb -0.08 -2.44 0.11 0.00 1.01 0.00 0.00 42.92 41.52 2a74 s ASP 755 CO -0.05 0.12 1.63 0.18 0.21 0.00 0.00 175.17 177.26 2a74 n LEU 756 N 2.33 5.11 -0.40 1.23 4.77 -1.26 -4.67 117.00 124.11 2a74 n LEU 756 Ca -0.05 -4.15 0.04 0.00 -0.03 0.00 0.00 56.01 51.82 2a74 n LEU 756 Cb 0.50 -1.69 0.08 0.00 -2.33 0.00 0.00 43.42 39.98 2a74 n LEU 756 CO 0.45 0.42 0.53 0.29 -1.33 0.00 0.00 177.39 177.75 2a74 n LYS 757 N 7.19 2.12 -1.70 3.23 5.02 -1.26 -4.79 118.16 127.97 2a74 n LYS 757 Ca 0.44 -1.62 -0.42 0.00 -2.02 0.00 0.00 58.31 54.70 2a74 n LYS 757 Cb 0.44 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2a74 n LYS 757 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2a74 n GLU 758 N 0.26 2.03 -1.61 1.97 4.71 -1.26 -4.79 120.64 121.94 2a74 n GLU 758 Ca 0.07 0.72 -0.59 0.00 -0.01 0.00 0.00 57.16 57.34 2a74 n GLU 758 Cb 0.32 -2.36 -0.09 0.00 -1.01 0.00 0.00 31.44 28.30 2a74 n GLU 758 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2a74 n PRO 759 N 0.28 0.69 -2.41 3.49 -0.02 -1.26 -4.67 135.00 131.10 2a74 n PRO 759 Ca 0.06 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2a74 n PRO 759 Cb 0.38 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 2a74 n PRO 759 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a74 s PRO 760 N 4.19 3.76 -0.07 0.52 0.04 -1.26 -4.79 135.00 137.38 2a74 s PRO 760 Ca 1.05 0.67 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2a74 s PRO 760 Cb -1.21 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 31.13 2a74 s PRO 760 CO 0.67 -0.28 -0.10 0.15 0.04 0.00 0.00 177.00 177.48 2a74 s LYS 761 N -4.40 1.52 -1.63 4.56 1.02 -0.31 -4.81 119.74 115.68 2a74 s LYS 761 Ca 0.54 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 56.05 2a74 s LYS 761 Cb -0.10 -1.34 0.13 0.00 -0.52 0.00 0.00 37.83 35.99 2a74 s LYS 761 CO 0.39 -0.04 0.79 0.09 -0.92 0.00 0.00 175.35 175.66 2a74 n ASN 762 N 4.05 -3.27 0.00 2.83 4.13 -1.26 -1.76 115.26 119.98 2a74 n ASN 762 Ca -0.21 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.08 2a74 n ASN 762 Cb 0.51 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 2a74 n ASN 762 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a74 n GLY 763 N -1.53 1.35 3.44 7.41 0.00 -1.26 -5.02 105.19 109.58 2a74 n GLY 763 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2a74 n GLY 763 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a74 s ILE 764 N -2.97 3.50 -0.10 -0.61 -1.09 -0.72 -5.04 121.20 114.17 2a74 s ILE 764 Ca 0.00 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 57.88 2a74 s ILE 764 Cb 0.00 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 2a74 s ILE 764 CO 0.00 0.51 0.06 -0.44 -1.23 0.00 0.00 174.94 173.84 2a74 s SER 765 N 0.38 5.72 -0.17 3.58 0.01 -1.26 -1.17 113.70 120.79 2a74 s SER 765 Ca -0.07 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 2a74 s SER 765 Cb -0.15 -1.73 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 2a74 s SER 765 CO 0.04 0.39 -0.10 -0.89 0.41 0.00 0.00 173.24 173.09 2a74 s THR 766 N -0.91 3.09 -0.12 1.44 2.01 -1.26 -4.98 115.64 114.91 2a74 s THR 766 Ca 0.14 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 2a74 s THR 766 Cb -0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2a74 s THR 766 CO 0.03 0.48 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.58 2a74 s LYS 767 N 0.93 3.25 -0.21 4.92 2.20 -1.26 -4.79 119.74 124.79 2a74 s LYS 767 Ca -0.02 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 2a74 s LYS 767 Cb -0.15 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2a74 s LYS 767 CO -0.00 0.32 0.04 -0.51 -0.36 0.00 0.00 175.35 174.83 2a74 s LEU 768 N 0.10 3.49 -0.17 5.43 1.43 -1.26 -5.10 118.68 122.59 2a74 s LEU 768 Ca -0.05 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2a74 s LEU 768 Cb -0.14 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.20 2a74 s LEU 768 CO 0.04 0.08 -0.18 -0.04 0.23 0.00 0.00 176.35 176.47 2a74 s MET 769 N 0.95 2.81 -0.28 1.70 -1.94 -1.26 -5.09 119.30 116.18 2a74 s MET 769 Ca 0.03 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 52.94 2a74 s MET 769 Cb -0.14 -2.47 0.01 0.00 2.01 0.00 0.00 34.83 34.24 2a74 s MET 769 CO 0.02 -0.22 1.14 1.21 -0.01 0.00 0.00 175.02 177.16 2a74 s ASN 770 N 1.33 6.91 0.04 3.03 3.04 -1.26 -5.03 114.94 123.00 2a74 s ASN 770 Ca 0.05 1.23 0.06 0.00 0.04 0.00 0.00 52.86 54.23 2a74 s ASN 770 Cb -0.13 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.00 2a74 s ASN 770 CO -0.12 -0.87 -0.12 0.27 -3.04 0.00 0.00 177.10 173.22 2a74 s ILE 771 N 3.71 3.26 -0.38 -5.21 -4.36 -1.26 -5.11 121.20 111.85 2a74 s ILE 771 Ca 0.49 -1.05 -0.16 0.00 -0.26 0.00 0.00 60.65 59.66 2a74 s ILE 771 Cb -0.15 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.13 2a74 s ILE 771 CO 0.15 0.30 0.40 -0.36 0.24 0.00 0.00 174.94 175.67 2a74 s PHE 772 N -1.03 3.19 0.40 1.37 0.08 -1.26 -5.07 117.98 115.66 2a74 s PHE 772 Ca 0.17 -0.22 -0.27 0.00 0.12 0.00 0.00 56.93 56.73 2a74 s PHE 772 Cb -0.11 -2.78 -0.09 0.00 -0.57 0.00 0.00 43.02 39.47 2a74 s PHE 772 CO 0.08 -0.57 1.38 -0.51 -0.10 0.00 0.00 175.22 175.51 2a74 s LEU 773 N 2.06 4.25 0.00 -0.37 1.43 -1.26 -5.02 118.68 119.78 2a74 s LEU 773 Ca 0.12 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 2a74 s LEU 773 Cb -0.17 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2a74 s LEU 773 CO 0.13 -0.89 0.00 0.29 0.23 0.00 0.00 176.35 176.11 2a74 n LYS 774 N 0.25 -0.88 0.00 1.70 4.76 -1.26 -4.98 118.16 117.74 2a74 n LYS 774 Ca 0.03 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 2a74 n LYS 774 Cb 0.42 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.71 2a74 n LYS 774 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2a74 n ASP 775 N -2.51 1.49 -4.77 4.39 8.00 0.35 -4.94 116.55 118.57 2a74 n ASP 775 Ca 0.00 -1.18 -0.40 0.00 0.71 0.00 0.00 54.79 53.92 2a74 n ASP 775 Cb 0.00 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 2a74 n ASP 775 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2a74 s SER 776 N -2.59 6.86 -0.46 -2.24 0.01 -1.23 -4.93 113.70 109.11 2a74 s SER 776 Ca 0.18 2.54 -0.15 0.00 1.31 0.00 0.00 55.95 59.83 2a74 s SER 776 Cb 0.18 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.84 2a74 s SER 776 CO 0.61 -0.46 0.38 -0.63 0.41 0.00 0.00 173.24 173.55 2a74 s ILE 777 N -1.18 5.22 -0.03 1.44 1.01 -1.26 -4.79 121.20 121.62 2a74 s ILE 777 Ca 0.49 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 2a74 s ILE 777 Cb -0.37 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.04 2a74 s ILE 777 CO 0.48 -0.55 0.43 1.07 0.00 0.00 0.00 174.94 176.37 2a74 n THR 778 N 5.19 0.00 -4.58 2.92 5.66 -0.79 -5.00 114.28 117.68 2a74 n THR 778 Ca -0.12 -0.01 -0.33 0.00 -3.05 0.00 0.00 64.05 60.53 2a74 n THR 778 Cb 0.44 0.16 -0.15 0.00 -1.55 0.00 0.00 70.33 69.23 2a74 n THR 778 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a74 s THR 779 N -2.03 2.79 0.00 1.09 2.01 -1.26 -0.72 115.64 117.52 2a74 s THR 779 Ca 0.10 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 2a74 s THR 779 Cb -0.00 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 2a74 s THR 779 CO -0.01 0.51 0.47 0.26 -0.69 0.00 0.00 174.62 175.16 2a74 s TRP 780 N 0.71 3.72 -0.29 4.92 0.52 -0.15 -4.94 118.94 123.43 2a74 s TRP 780 Ca -0.07 1.06 -0.08 0.00 0.02 0.00 0.00 56.10 57.03 2a74 s TRP 780 Cb -0.15 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.77 2a74 s TRP 780 CO 0.02 0.55 0.10 -2.00 0.02 0.00 0.00 176.95 175.63 2a74 s GLU 781 N -0.80 3.34 -0.28 4.98 2.12 -1.26 -1.42 118.70 125.38 2a74 s GLU 781 Ca 0.26 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 2a74 s GLU 781 Cb -0.17 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2a74 s GLU 781 CO 0.14 -0.36 0.23 0.42 -0.54 0.00 0.00 175.26 175.16 2a74 s ILE 782 N 1.57 5.28 -0.13 -3.70 1.01 0.19 -4.91 121.20 120.52 2a74 s ILE 782 Ca 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 2a74 s ILE 782 Cb -0.16 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2a74 s ILE 782 CO 0.04 0.22 -0.08 -0.22 0.00 0.00 0.00 174.94 174.90 2a74 s LEU 783 N 1.83 3.01 0.06 2.97 2.96 -1.26 -0.79 118.68 127.45 2a74 s LEU 783 Ca 0.09 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2a74 s LEU 783 Cb -0.16 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2a74 s LEU 783 CO 0.11 0.21 -0.22 0.00 -1.32 0.00 0.00 176.35 175.12 2a74 s ALA 784 N 0.12 2.44 -0.04 5.97 0.00 -1.26 -5.06 121.76 123.94 2a74 s ALA 784 Ca -0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 2a74 s ALA 784 Cb -0.14 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2a74 s ALA 784 CO 0.04 0.56 0.02 0.08 0.00 0.00 0.00 175.76 176.45 2a74 s VAL 785 N -0.92 0.10 0.23 0.00 1.01 -1.26 -1.05 120.40 118.51 2a74 s VAL 785 Ca 0.14 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2a74 s VAL 785 Cb -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2a74 s VAL 785 CO 0.05 0.17 0.17 -0.94 0.00 0.00 0.00 175.10 174.54 2a74 s SER 786 N 1.51 5.46 -0.07 3.32 1.04 -0.47 -4.96 113.70 119.53 2a74 s SER 786 Ca -0.03 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 2a74 s SER 786 Cb -0.13 -1.38 0.02 0.00 0.10 0.00 0.00 66.02 64.64 2a74 s SER 786 CO -0.03 -0.01 -0.03 -0.32 0.98 0.00 0.00 173.24 173.83 2a74 s MET 787 N -3.64 0.87 -0.02 4.02 1.75 -1.26 -1.67 119.30 119.36 2a74 s MET 787 Ca 0.32 -0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.74 2a74 s MET 787 Cb -0.08 -1.03 0.00 0.00 2.84 0.00 0.00 34.83 36.56 2a74 s MET 787 CO 0.24 -0.20 -0.07 0.45 -0.65 0.00 0.00 175.02 174.78 2a74 s SER 788 N 1.50 0.96 0.00 1.11 0.15 0.19 -4.99 113.70 112.62 2a74 s SER 788 Ca -0.02 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.67 2a74 s SER 788 Cb -0.13 -0.20 0.78 0.00 -1.71 0.00 0.00 66.02 64.76 2a74 s SER 788 CO -0.03 0.06 1.58 -0.90 1.20 0.00 0.00 173.24 175.15 2a74 n ASP 789 N 3.16 0.00 -0.12 5.45 5.75 -1.26 -0.79 116.55 128.73 2a74 n ASP 789 Ca -0.16 0.48 -0.18 0.00 -0.01 0.00 0.00 54.79 54.92 2a74 n ASP 789 Cb 0.56 -0.49 -0.12 0.00 -1.03 0.00 0.00 41.12 40.03 2a74 n ASP 789 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2a74 n LYS 790 N -1.49 0.66 0.00 0.11 5.02 -1.26 -4.74 118.16 116.46 2a74 n LYS 790 Ca 0.05 0.15 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 2a74 n LYS 790 Cb 0.21 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 2a74 n LYS 790 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2a74 n LYS 791 N -3.26 0.49 0.00 1.97 4.76 -1.17 -5.09 118.16 115.85 2a74 n LYS 791 Ca -0.45 -1.02 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 2a74 n LYS 791 Cb 1.00 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 2a74 n LYS 791 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a74 n GLY 792 N 0.56 1.87 3.41 0.72 0.00 0.03 -4.83 105.19 106.95 2a74 n GLY 792 Ca 0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2a74 n GLY 792 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a74 s ILE 793 N 0.00 2.90 -0.22 -0.61 2.07 -1.26 -0.64 121.20 123.44 2a74 s ILE 793 Ca 0.00 -0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 58.44 2a74 s ILE 793 Cb 0.00 -2.15 0.07 0.00 0.13 0.00 0.00 42.46 40.51 2a74 s ILE 793 CO 0.00 0.57 0.09 0.00 -1.91 0.00 0.00 174.94 173.69 2a74 s VAL 795 N 2.02 4.65 0.72 0.00 1.01 -1.26 -1.37 120.40 126.17 2a74 s VAL 795 Ca 0.04 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 2a74 s VAL 795 Cb -0.16 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2a74 s VAL 795 CO -0.18 -0.32 1.09 0.00 0.00 0.00 0.00 175.10 175.69 2a74 s ALA 796 N 3.29 2.78 0.25 5.51 0.00 -0.22 -5.02 121.76 128.35 2a74 s ALA 796 Ca 0.40 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2a74 s ALA 796 Cb -0.13 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2a74 s ALA 796 CO 0.12 -1.23 1.27 -0.51 0.00 0.00 0.00 175.76 175.41 2a74 s ASP 797 N -4.25 6.93 0.50 0.00 1.01 -1.26 -4.72 116.67 114.88 2a74 s ASP 797 Ca 0.58 2.45 -0.23 0.00 0.71 0.00 0.00 52.55 56.07 2a74 s ASP 797 Cb -0.12 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 2a74 s ASP 797 CO 0.52 -0.46 1.27 -2.84 0.21 0.00 0.00 175.17 173.88 2a74 s PRO 798 N -0.78 3.48 -0.16 8.23 0.02 -1.26 -4.83 135.00 139.70 2a74 s PRO 798 Ca 0.52 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 2a74 s PRO 798 Cb -0.36 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 2a74 s PRO 798 CO 0.42 -0.86 -0.10 0.12 -0.33 0.00 0.00 177.00 176.25 2a74 s PHE 799 N -1.40 2.86 -0.06 6.54 5.36 0.03 -4.93 117.98 126.38 2a74 s PHE 799 Ca 0.67 -0.76 -0.04 0.00 -0.96 0.00 0.00 56.93 55.84 2a74 s PHE 799 Cb -0.35 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 2a74 s PHE 799 CO 0.43 -0.32 0.12 -1.21 -1.46 0.00 0.00 175.22 172.77 2a74 s GLU 800 N 0.71 3.29 -0.07 10.12 2.02 -1.26 0.58 118.70 134.08 2a74 s GLU 800 Ca -0.05 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 2a74 s GLU 800 Cb -0.15 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.07 2a74 s GLU 800 CO 0.02 0.71 0.00 0.08 0.02 0.00 0.00 175.26 176.10 2a74 s VAL 801 N -1.12 0.36 -0.22 2.63 1.01 -0.51 -4.99 120.40 117.56 2a74 s VAL 801 Ca 0.20 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 2a74 s VAL 801 Cb -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2a74 s VAL 801 CO 0.10 0.26 0.30 -0.89 0.00 0.00 0.00 175.10 174.86 2a74 s THR 802 N 1.98 5.26 -0.27 3.92 2.01 -1.26 -0.97 115.64 126.31 2a74 s THR 802 Ca 0.05 0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.48 2a74 s THR 802 Cb -0.12 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2a74 s THR 802 CO -0.05 0.28 0.02 -0.69 -0.69 0.00 0.00 174.62 173.49 2a74 s VAL 803 N 1.27 3.56 0.27 3.82 1.01 0.10 -5.01 120.40 125.42 2a74 s VAL 803 Ca 0.14 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2a74 s VAL 803 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2a74 s VAL 803 CO 0.07 0.18 0.25 0.80 0.00 0.00 0.00 175.10 176.40 2a74 n MET 804 N 4.80 0.36 -3.54 2.72 1.56 -1.26 -1.89 117.12 119.86 2a74 n MET 804 Ca -0.16 -2.61 -0.15 0.00 -0.27 0.00 0.00 57.70 54.51 2a74 n MET 804 Cb 0.48 2.18 -0.06 0.00 2.15 0.00 0.00 33.22 37.98 2a74 n MET 804 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2a74 s GLN 805 N -3.03 0.89 0.27 2.12 -0.21 -1.26 -5.07 119.66 113.37 2a74 s GLN 805 Ca 0.31 0.24 0.17 0.00 0.02 0.00 0.00 55.36 56.10 2a74 s GLN 805 Cb 0.01 0.42 0.08 0.00 1.00 0.00 0.00 33.01 34.52 2a74 s GLN 805 CO 0.22 -0.27 1.36 -0.44 -2.12 0.00 0.00 175.29 174.04 2a74 h ASP 806 N 2.92 0.00 -3.36 5.90 3.32 -1.92 -3.44 116.42 119.84 2a74 h ASP 806 Ca -0.24 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.27 2a74 h ASP 806 Cb 1.15 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.36 2a74 h ASP 806 CO 0.35 0.40 -0.82 0.12 -1.72 0.00 0.00 179.24 177.57 2a74 s PHE 807 N -3.02 1.63 0.05 4.55 5.36 -1.26 0.60 117.98 125.89 2a74 s PHE 807 Ca 0.03 -0.67 -0.27 0.00 -0.96 0.00 0.00 56.93 55.07 2a74 s PHE 807 Cb 0.07 -1.20 0.09 0.00 -0.34 0.00 0.00 43.02 41.64 2a74 s PHE 807 CO 0.75 -0.35 0.75 -0.59 -1.46 0.00 0.00 175.22 174.32 2a74 s PHE 808 N 0.83 -0.46 -0.13 10.12 -0.12 -0.96 -4.86 117.98 122.39 2a74 s PHE 808 Ca -0.11 0.37 -0.14 0.00 -0.05 0.00 0.00 56.93 57.00 2a74 s PHE 808 Cb -0.15 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 2a74 s PHE 808 CO 0.02 -0.67 0.32 0.42 -0.05 0.00 0.00 175.22 175.26 2a74 s ILE 809 N -3.08 5.27 -0.47 -4.49 1.01 -1.26 -0.70 121.20 117.48 2a74 s ILE 809 Ca 0.01 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.14 2a74 s ILE 809 Cb -0.01 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.91 2a74 s ILE 809 CO -0.08 0.42 0.38 -0.62 0.00 0.00 0.00 174.94 175.03 2a74 s ASP 810 N 0.20 5.94 -0.61 3.58 2.15 0.10 -4.91 116.67 123.13 2a74 s ASP 810 Ca 0.18 -1.59 -0.24 0.00 0.43 0.00 0.00 52.55 51.33 2a74 s ASP 810 Cb -0.14 -2.11 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 2a74 s ASP 810 CO 0.06 -0.68 1.00 -0.22 -0.17 0.00 0.00 175.17 175.16 2a74 s LEU 811 N 1.52 4.05 -0.88 -1.34 2.96 -1.26 -1.05 118.68 122.68 2a74 s LEU 811 Ca 0.04 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 2a74 s LEU 811 Cb -0.26 -2.68 0.17 0.00 0.50 0.00 0.00 46.19 43.92 2a74 s LEU 811 CO 0.03 -1.38 0.98 -0.13 -1.32 0.00 0.00 176.35 174.53 2a74 s ARG 812 N 4.24 3.60 0.12 1.98 0.52 -0.55 -5.01 118.95 123.84 2a74 s ARG 812 Ca 0.29 -2.04 -0.14 0.00 -0.52 0.00 0.00 55.73 53.32 2a74 s ARG 812 Cb -0.13 -4.71 -0.07 0.00 0.52 0.00 0.00 34.95 30.56 2a74 s ARG 812 CO 0.16 -1.58 0.52 -0.51 0.02 0.00 0.00 175.30 173.92 2a74 s LEU 813 N 1.67 4.37 0.87 2.53 1.02 -1.26 -3.85 118.68 124.03 2a74 s LEU 813 Ca 0.26 1.05 -0.11 0.00 0.02 0.00 0.00 54.13 55.36 2a74 s LEU 813 Cb -0.07 -3.13 0.11 0.00 0.02 0.00 0.00 46.19 43.13 2a74 s LEU 813 CO -0.09 0.15 1.11 -2.16 0.02 0.00 0.00 176.35 175.38 2a74 s PRO 814 N -1.78 1.45 0.14 1.29 0.04 -1.26 -4.97 135.00 129.91 2a74 s PRO 814 Ca 0.35 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 2a74 s PRO 814 Cb -0.16 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2a74 s PRO 814 CO 0.18 -2.24 1.68 -0.92 0.04 0.00 0.00 177.00 175.75 2a74 h TYR 815 N -1.57 -0.26 -3.68 0.56 3.20 -1.97 -3.45 116.97 109.81 2a74 h TYR 815 Ca -0.45 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 2a74 h TYR 815 Cb 1.26 0.15 -0.15 0.00 1.54 0.00 0.00 36.73 39.53 2a74 h TYR 815 CO 0.51 -0.17 -0.35 -1.54 -1.64 0.00 0.00 178.16 174.97 2a74 s SER 816 N -5.14 0.06 0.14 -2.11 1.04 -1.26 -2.85 113.70 103.58 2a74 s SER 816 Ca -0.14 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2a74 s SER 816 Cb 0.11 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2a74 s SER 816 CO 0.69 -0.68 -0.03 0.68 0.98 0.00 0.00 173.24 174.88 2a74 s VAL 817 N -3.39 0.69 -0.11 5.02 -7.23 0.13 -4.96 120.40 110.54 2a74 s VAL 817 Ca 0.01 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 2a74 s VAL 817 Cb 0.03 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2a74 s VAL 817 CO -0.08 -0.66 0.30 -0.69 -0.31 0.00 0.00 175.10 173.65 2a74 s VAL 818 N -3.64 5.27 -0.05 1.32 1.01 -1.26 -0.42 120.40 122.62 2a74 s VAL 818 Ca 0.18 0.57 -0.39 0.00 0.00 0.00 0.00 61.98 62.34 2a74 s VAL 818 Cb 0.06 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 2a74 s VAL 818 CO -0.00 0.48 1.41 -1.14 0.00 0.00 0.00 175.10 175.85 2a74 n ARG 819 N 2.86 0.90 -0.98 2.72 0.63 0.16 -2.20 116.66 120.75 2a74 n ARG 819 Ca -0.14 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2a74 n ARG 819 Cb 0.52 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2a74 n ARG 819 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a74 n ASN 820 N 3.15 -3.36 -4.72 6.15 5.03 0.60 -4.54 115.26 117.57 2a74 n ASN 820 Ca 0.21 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.31 2a74 n ASN 820 Cb 0.14 -1.35 -0.08 0.00 -1.02 0.00 0.00 39.78 37.47 2a74 n ASN 820 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2a74 s GLU 821 N -0.58 4.19 0.17 3.52 2.02 -0.94 -4.97 118.70 122.10 2a74 s GLU 821 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 2a74 s GLU 821 Cb 0.00 -3.44 -0.08 0.00 0.10 0.00 0.00 34.13 30.71 2a74 s GLU 821 CO 0.00 0.26 1.25 -1.14 0.02 0.00 0.00 175.26 175.65 2a74 s GLN 822 N 0.47 4.44 0.12 1.61 0.74 -1.26 -4.27 119.66 121.51 2a74 s GLN 822 Ca 0.09 1.94 0.05 0.00 0.05 0.00 0.00 55.36 57.49 2a74 s GLN 822 Cb -0.12 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 2a74 s GLN 822 CO -0.00 -0.19 -0.12 0.14 -0.55 0.00 0.00 175.29 174.56 2a74 s VAL 823 N 0.24 1.22 -0.20 1.34 -7.23 0.45 -4.99 120.40 111.23 2a74 s VAL 823 Ca 0.56 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.87 2a74 s VAL 823 Cb -0.34 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2a74 s VAL 823 CO 0.36 -0.53 0.06 -0.70 -0.31 0.00 0.00 175.10 173.98 2a74 s GLU 824 N -2.96 3.87 0.29 4.82 2.12 -1.26 -1.14 118.70 124.43 2a74 s GLU 824 Ca 0.10 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.13 2a74 s GLU 824 Cb -0.03 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2a74 s GLU 824 CO 0.02 0.13 0.09 0.96 -0.54 0.00 0.00 175.26 175.92 2a74 s ILE 825 N 0.75 3.53 -0.06 -3.70 -4.36 -0.63 -4.95 121.20 111.78 2a74 s ILE 825 Ca 0.03 -1.73 0.05 0.00 -0.26 0.00 0.00 60.65 58.74 2a74 s ILE 825 Cb -0.13 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.55 2a74 s ILE 825 CO 0.02 -0.31 -0.20 -0.13 0.24 0.00 0.00 174.94 174.56 2a74 s ARG 826 N -3.77 2.57 -0.29 0.37 1.81 -1.25 -1.06 118.95 117.32 2a74 s ARG 826 Ca 0.34 -0.81 -0.10 0.00 -1.72 0.00 0.00 55.73 53.44 2a74 s ARG 826 Cb -0.06 -2.28 -0.02 0.00 -0.45 0.00 0.00 34.95 32.15 2a74 s ARG 826 CO 0.22 0.47 0.15 0.00 -0.68 0.00 0.00 175.30 175.46 2a74 s ALA 827 N -0.37 3.31 -0.27 2.13 0.00 0.11 -1.49 121.76 125.18 2a74 s ALA 827 Ca 0.03 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 2a74 s ALA 827 Cb -0.12 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2a74 s ALA 827 CO 0.02 -0.76 0.17 0.08 0.00 0.00 0.00 175.76 175.27 2a74 s VAL 828 N 1.65 5.16 -0.23 0.00 1.01 -0.22 0.22 120.40 127.99 2a74 s VAL 828 Ca 0.05 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2a74 s VAL 828 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2a74 s VAL 828 CO 0.07 0.27 0.34 -0.76 0.00 0.00 0.00 175.10 175.02 2a74 s LEU 829 N 1.67 4.12 -0.15 3.92 1.02 0.47 0.02 118.68 129.76 2a74 s LEU 829 Ca 0.07 0.38 -0.03 0.00 0.02 0.00 0.00 54.13 54.56 2a74 s LEU 829 Cb -0.16 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.62 2a74 s LEU 829 CO 0.09 -0.07 -0.04 -0.31 0.02 0.00 0.00 176.35 176.04 2a74 s TYR 830 N 1.43 3.03 -0.30 0.29 2.02 0.12 -0.69 117.35 123.26 2a74 s TYR 830 Ca 0.16 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2a74 s TYR 830 Cb -0.15 -1.94 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 2a74 s TYR 830 CO 0.08 0.01 -0.02 1.21 -1.57 0.00 0.00 175.55 175.26 2a74 s ASN 831 N 0.24 4.73 -0.22 2.29 2.47 -0.17 -2.27 114.94 122.02 2a74 s ASN 831 Ca -0.03 -1.51 0.15 0.00 0.42 0.00 0.00 52.86 51.89 2a74 s ASN 831 Cb -0.14 -1.65 0.61 0.00 -1.45 0.00 0.00 41.25 38.62 2a74 s ASN 831 CO 0.03 -0.27 1.53 -1.22 -3.72 0.00 0.00 177.10 173.45 2a74 n TYR 832 N 4.49 1.34 -2.46 0.43 4.02 0.20 -1.74 117.16 123.44 2a74 n TYR 832 Ca -0.10 -0.95 -0.41 0.00 -0.01 0.00 0.00 57.90 56.43 2a74 n TYR 832 Cb 0.42 -0.41 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 2a74 n TYR 832 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2a74 s ARG 833 N -2.88 4.61 0.29 -0.72 0.52 -1.26 -4.80 118.95 114.72 2a74 s ARG 833 Ca 0.46 1.81 0.06 0.00 -0.52 0.00 0.00 55.73 57.54 2a74 s ARG 833 Cb 0.37 -3.21 0.44 0.00 0.52 0.00 0.00 34.95 33.07 2a74 s ARG 833 CO 0.10 0.15 1.69 0.37 0.02 0.00 0.00 175.30 177.63 2a74 h GLN 834 N 4.19 0.26 0.00 3.54 5.75 -1.97 -2.89 115.11 123.98 2a74 h GLN 834 Ca -0.46 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 57.92 2a74 h GLN 834 Cb 1.21 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2a74 h GLN 834 CO 0.69 0.63 -0.01 0.27 -2.65 0.00 0.00 178.83 177.76 2a74 n ASN 835 N -4.02 0.00 -4.32 -0.69 0.23 -1.26 -4.71 115.26 100.50 2a74 n ASN 835 Ca -0.02 -1.02 -0.36 0.00 -0.53 0.00 0.00 54.58 52.66 2a74 n ASN 835 Cb 0.48 -0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.05 2a74 n ASN 835 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2a74 s GLN 836 N 0.00 3.20 0.24 -3.83 2.00 -1.26 -4.88 119.66 115.13 2a74 s GLN 836 Ca 0.00 -0.76 -0.12 0.00 -2.00 0.00 0.00 55.36 52.48 2a74 s GLN 836 Cb 0.00 -3.17 -0.08 0.00 0.80 0.00 0.00 33.01 30.56 2a74 s GLN 836 CO 0.00 -0.33 0.59 -1.83 -0.50 0.00 0.00 175.29 173.23 2a74 s GLU 837 N 1.47 3.88 -0.13 1.67 -1.05 -1.26 -4.24 118.70 119.04 2a74 s GLU 837 Ca 0.04 0.40 0.02 0.00 -0.15 0.00 0.00 54.97 55.28 2a74 s GLU 837 Cb -0.16 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 30.89 2a74 s GLU 837 CO -0.01 0.31 -0.21 -0.51 0.95 0.00 0.00 175.26 175.80 2a74 s LEU 838 N -2.71 2.24 -0.29 1.83 1.43 -0.11 -4.95 118.68 116.11 2a74 s LEU 838 Ca 0.47 -0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2a74 s LEU 838 Cb -0.12 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2a74 s LEU 838 CO 0.20 0.12 0.84 -0.75 0.23 0.00 0.00 176.35 176.99 2a74 s LYS 839 N 0.60 4.05 -0.03 1.70 2.20 -1.26 -0.66 119.74 126.34 2a74 s LYS 839 Ca -0.11 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 56.32 2a74 s LYS 839 Cb -0.16 -3.70 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 2a74 s LYS 839 CO 0.03 -0.65 -0.21 0.08 -0.36 0.00 0.00 175.35 174.24 2a74 s VAL 840 N 3.00 1.65 -0.26 4.02 1.01 0.13 -1.65 120.40 128.30 2a74 s VAL 840 Ca 0.35 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 2a74 s VAL 840 Cb -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2a74 s VAL 840 CO 0.11 0.47 0.05 -0.60 0.00 0.00 0.00 175.10 175.13 2a74 s ARG 841 N -0.32 3.37 -0.05 2.72 3.52 -0.08 -0.35 118.95 127.76 2a74 s ARG 841 Ca 0.04 -0.66 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2a74 s ARG 841 Cb -0.10 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2a74 s ARG 841 CO 0.00 -0.30 -0.19 0.54 -0.81 0.00 0.00 175.30 174.55 2a74 s VAL 842 N 1.54 2.66 -0.01 7.11 0.11 0.02 -1.95 120.40 129.89 2a74 s VAL 842 Ca 0.05 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 2a74 s VAL 842 Cb -0.16 -2.01 -0.00 0.00 -1.53 0.00 0.00 36.38 32.68 2a74 s VAL 842 CO 0.02 0.58 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.62 2a74 s GLU 843 N -0.53 0.43 -0.22 1.54 2.12 -0.13 -0.65 118.70 121.25 2a74 s GLU 843 Ca 0.07 -0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 2a74 s GLU 843 Cb -0.11 -0.42 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 2a74 s GLU 843 CO 0.01 0.09 0.30 -1.17 -0.54 0.00 0.00 175.26 173.95 2a74 s LEU 844 N -0.04 4.13 0.35 2.70 2.96 -0.78 -1.95 118.68 126.04 2a74 s LEU 844 Ca 0.01 0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.99 2a74 s LEU 844 Cb -0.03 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 44.23 2a74 s LEU 844 CO -0.00 -0.02 1.03 -0.76 -1.32 0.00 0.00 176.35 175.27 2a74 s LEU 845 N 1.26 4.30 0.43 -0.68 1.02 -0.54 -4.24 118.68 120.24 2a74 s LEU 845 Ca 0.14 2.03 -0.25 0.00 0.02 0.00 0.00 54.13 56.07 2a74 s LEU 845 Cb -0.14 -4.00 -0.08 0.00 0.02 0.00 0.00 46.19 41.99 2a74 s LEU 845 CO 0.07 -0.28 1.29 -2.28 0.02 0.00 0.00 176.35 175.17 2a74 s HIS 846 N -1.52 2.76 -0.23 0.29 5.65 -1.26 -4.77 115.29 116.21 2a74 s HIS 846 Ca 0.52 1.42 -0.08 0.00 0.25 0.00 0.00 55.06 57.17 2a74 s HIS 846 Cb -0.23 -3.64 0.10 0.00 -1.18 0.00 0.00 32.58 27.63 2a74 s HIS 846 CO 0.30 -2.10 0.50 1.21 -0.65 0.00 0.00 174.74 173.99 2a74 s ASN 847 N -0.87 -0.56 0.00 9.88 3.84 -1.26 -5.04 114.94 120.93 2a74 s ASN 847 Ca 0.60 1.18 0.12 0.00 0.21 0.00 0.00 52.86 54.97 2a74 s ASN 847 Cb -0.37 1.59 0.61 0.00 -0.55 0.00 0.00 41.25 42.54 2a74 s ASN 847 CO 0.46 -0.23 1.32 -0.81 -2.79 0.00 0.00 177.10 175.06 2a74 n PRO 848 N 5.29 0.15 0.00 0.43 -0.04 -1.26 -0.78 135.00 138.79 2a74 n PRO 848 Ca -0.11 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 2a74 n PRO 848 Cb 0.50 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.07 2a74 n PRO 848 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a74 n ALA 849 N -1.32 2.25 -2.68 0.55 0.00 -1.26 -4.81 120.51 113.25 2a74 n ALA 849 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2a74 n ALA 849 Cb 0.11 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 2a74 n ALA 849 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2a74 s PHE 850 N -2.79 0.81 -0.09 0.00 0.40 0.04 -0.58 117.98 115.77 2a74 s PHE 850 Ca 0.19 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.11 2a74 s PHE 850 Cb 0.17 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 2a74 s PHE 850 CO 0.44 -0.01 0.79 0.00 0.70 0.00 0.00 175.22 177.14 2a74 n SER 852 N 4.32 -0.77 0.01 0.00 3.41 -1.26 -0.63 113.62 118.70 2a74 n SER 852 Ca 0.02 -1.60 0.12 0.00 -0.26 0.00 0.00 58.87 57.14 2a74 n SER 852 Cb 0.50 1.30 0.51 0.00 -0.26 0.00 0.00 64.21 66.26 2a74 n SER 852 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2a74 n LEU 853 N 0.00 0.06 -4.71 1.04 4.77 -1.26 -4.71 117.00 112.19 2a74 n LEU 853 Ca -0.02 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 2a74 n LEU 853 Cb 0.22 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2a74 n LEU 853 CO 0.10 -0.11 0.64 0.00 -1.33 0.00 0.00 177.39 176.70 2a74 s ALA 854 N -3.01 3.20 0.49 -1.18 0.00 -1.26 -4.65 121.76 115.34 2a74 s ALA 854 Ca 0.11 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2a74 s ALA 854 Cb 0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2a74 s ALA 854 CO 0.45 -0.17 0.01 0.95 0.00 0.00 0.00 175.76 176.99 2a74 s THR 855 N 0.79 1.22 0.25 0.00 -4.23 0.13 -4.79 115.64 109.01 2a74 s THR 855 Ca 0.49 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2a74 s THR 855 Cb -0.21 -2.27 0.23 0.00 1.34 0.00 0.00 72.50 71.59 2a74 s THR 855 CO 0.27 0.00 1.85 0.71 -0.54 0.00 0.00 174.62 176.91 2a74 h THR 856 N 1.43 1.02 -0.00 3.99 1.35 -1.98 -2.99 112.91 115.73 2a74 h THR 856 Ca -0.43 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2a74 h THR 856 Cb 1.30 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2a74 h THR 856 CO 0.74 0.18 -0.72 0.29 -0.25 0.00 0.00 175.52 175.75 2a74 n LYS 857 N -4.63 0.22 -4.16 4.72 5.02 -1.26 -4.91 118.16 113.17 2a74 n LYS 857 Ca 0.13 -0.17 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 2a74 n LYS 857 Cb 0.21 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 2a74 n LYS 857 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a74 s ARG 858 N -2.89 1.48 0.35 1.97 3.52 -1.13 -5.13 118.95 117.12 2a74 s ARG 858 Ca 0.12 -0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.28 2a74 s ARG 858 Cb 0.17 -1.42 -0.09 0.00 -1.56 0.00 0.00 34.95 32.04 2a74 s ARG 858 CO 0.75 -0.15 0.79 1.03 -0.81 0.00 0.00 175.30 176.91 2a74 s ARG 859 N 1.28 4.04 -0.69 5.12 0.52 -1.26 -0.69 118.95 127.27 2a74 s ARG 859 Ca -0.03 0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 55.94 2a74 s ARG 859 Cb -0.14 -2.37 0.17 0.00 0.52 0.00 0.00 34.95 33.14 2a74 s ARG 859 CO -0.03 0.10 0.50 -1.58 0.02 0.00 0.00 175.30 174.32 2a74 s HIS 860 N -2.05 3.51 -0.06 -0.53 5.65 -1.26 -4.85 115.29 115.69 2a74 s HIS 860 Ca 0.56 -2.95 0.04 0.00 0.25 0.00 0.00 55.06 52.95 2a74 s HIS 860 Cb -0.10 -3.09 0.00 0.00 -1.18 0.00 0.00 32.58 28.22 2a74 s HIS 860 CO 0.17 -0.76 -0.17 1.14 -0.65 0.00 0.00 174.74 174.47 2a74 s GLN 861 N -0.62 2.07 0.01 2.88 -2.07 -1.26 -1.87 119.66 118.80 2a74 s GLN 861 Ca 0.21 -0.62 0.02 0.00 -1.82 0.00 0.00 55.36 53.15 2a74 s GLN 861 Cb -0.16 -1.70 -0.04 0.00 -1.09 0.00 0.00 33.01 30.03 2a74 s GLN 861 CO -0.07 0.16 -0.02 -0.65 -1.32 0.00 0.00 175.29 173.39 2a74 s GLN 862 N 0.31 2.70 -0.23 9.60 1.11 0.17 -4.95 119.66 128.38 2a74 s GLN 862 Ca -0.11 -0.66 -0.07 0.00 0.01 0.00 0.00 55.36 54.54 2a74 s GLN 862 Cb -0.15 -2.61 -0.03 0.00 -1.01 0.00 0.00 33.01 29.22 2a74 s GLN 862 CO 0.04 0.61 0.05 0.99 0.01 0.00 0.00 175.29 176.99 2a74 s THR 863 N -1.07 4.20 0.12 -0.19 2.01 -1.26 -0.80 115.64 118.66 2a74 s THR 863 Ca 0.19 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.04 2a74 s THR 863 Cb -0.11 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2a74 s THR 863 CO 0.10 0.37 -0.15 0.68 -0.69 0.00 0.00 174.62 174.93 2a74 s VAL 864 N 1.40 1.42 -0.21 3.82 -7.23 0.52 -4.95 120.40 115.17 2a74 s VAL 864 Ca 0.05 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 2a74 s VAL 864 Cb -0.15 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2a74 s VAL 864 CO 0.03 -0.35 0.04 -0.89 -0.31 0.00 0.00 175.10 173.62 2a74 s THR 865 N -1.97 4.36 -0.30 5.32 2.01 -1.26 0.23 115.64 124.04 2a74 s THR 865 Ca 0.09 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 2a74 s THR 865 Cb -0.06 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2a74 s THR 865 CO 0.04 0.41 0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 2a74 s ILE 866 N 0.97 3.78 0.98 1.82 1.01 0.17 -4.96 121.20 124.97 2a74 s ILE 866 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2a74 s ILE 866 Cb -0.14 -2.98 0.18 0.00 0.01 0.00 0.00 42.46 39.53 2a74 s ILE 866 CO 0.03 0.06 1.10 -2.84 0.00 0.00 0.00 174.94 173.28 2a74 s PRO 867 N 1.46 0.49 0.44 2.79 0.02 -1.26 -0.94 135.00 138.01 2a74 s PRO 867 Ca 0.02 1.26 -0.23 0.00 0.02 0.00 0.00 61.00 62.06 2a74 s PRO 867 Cb -0.17 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 2a74 s PRO 867 CO 0.02 -2.89 0.92 -2.30 -0.33 0.00 0.00 177.00 172.41 2a74 n PRO 868 N -4.39 1.16 -3.37 5.54 -0.02 -1.26 -3.07 135.00 129.60 2a74 n PRO 868 Ca 0.09 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.74 2a74 n PRO 868 Cb 0.53 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 2a74 n PRO 868 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2a74 n LYS 869 N 0.10 -3.96 -3.98 -0.52 5.02 -0.71 -4.93 118.16 109.19 2a74 n LYS 869 Ca 0.10 0.58 -0.18 0.00 -2.02 0.00 0.00 58.31 56.79 2a74 n LYS 869 Cb 0.40 -5.34 -0.07 0.00 -0.02 0.00 0.00 35.03 30.00 2a74 n LYS 869 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2a74 n SER 870 N -2.41 -0.09 -4.07 4.39 3.41 -0.95 -4.99 113.62 108.91 2a74 n SER 870 Ca -0.03 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.60 2a74 n SER 870 Cb 0.56 1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 65.69 2a74 n SER 870 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a74 s SER 871 N -3.06 0.58 -0.09 4.04 1.04 -1.26 -1.00 113.70 113.95 2a74 s SER 871 Ca 0.30 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2a74 s SER 871 Cb 0.01 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2a74 s SER 871 CO 0.21 -0.46 -0.12 -0.22 0.98 0.00 0.00 173.24 173.63 2a74 s LEU 872 N -2.46 1.53 -0.20 2.42 2.96 0.14 -4.96 118.68 118.10 2a74 s LEU 872 Ca 0.01 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.35 2a74 s LEU 872 Cb 0.01 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 2a74 s LEU 872 CO -0.06 -0.01 0.78 -0.55 -1.32 0.00 0.00 176.35 175.18 2a74 s SER 873 N 1.03 6.83 -0.28 3.68 0.15 -1.26 -0.39 113.70 123.46 2a74 s SER 873 Ca -0.07 1.03 -0.03 0.00 0.70 0.00 0.00 55.95 57.57 2a74 s SER 873 Cb -0.15 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2a74 s SER 873 CO -0.01 -0.41 0.01 -0.69 1.20 0.00 0.00 173.24 173.34 2a74 s VAL 874 N 2.36 3.27 0.18 4.45 1.01 0.13 -4.97 120.40 126.83 2a74 s VAL 874 Ca 0.34 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 2a74 s VAL 874 Cb -0.16 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 2a74 s VAL 874 CO 0.10 0.06 0.75 -2.16 0.00 0.00 0.00 175.10 173.85 2a74 s PRO 875 N 1.36 4.43 -0.06 2.72 0.04 -1.26 0.06 135.00 142.29 2a74 s PRO 875 Ca -0.01 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2a74 s PRO 875 Cb -0.18 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2a74 s PRO 875 CO -0.01 0.50 -0.09 0.71 0.04 0.00 0.00 177.00 178.16 2a74 s TYR 876 N -1.29 1.15 -0.20 0.56 2.02 -0.23 -4.97 117.35 114.39 2a74 s TYR 876 Ca 0.38 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.56 2a74 s TYR 876 Cb -0.20 -0.91 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 2a74 s TYR 876 CO 0.24 -0.26 0.23 0.14 -1.57 0.00 0.00 175.55 174.33 2a74 s VAL 877 N 0.85 5.33 0.04 0.71 -7.23 -1.26 -1.60 120.40 117.23 2a74 s VAL 877 Ca -0.12 0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.42 2a74 s VAL 877 Cb -0.15 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 2a74 s VAL 877 CO 0.01 0.36 -0.03 0.27 -0.31 0.00 0.00 175.10 175.40 2a74 s ILE 878 N 0.79 0.21 -0.18 -0.62 -4.36 -0.30 -4.54 121.20 112.19 2a74 s ILE 878 Ca 0.12 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 2a74 s ILE 878 Cb -0.13 -0.99 0.04 0.00 1.25 0.00 0.00 42.46 42.63 2a74 s ILE 878 CO 0.03 -0.77 -0.09 -0.69 0.24 0.00 0.00 174.94 173.66 2a74 s VAL 879 N -2.84 1.42 0.19 8.37 1.01 0.19 -0.41 120.40 128.33 2a74 s VAL 879 Ca -0.03 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 2a74 s VAL 879 Cb 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 2a74 s VAL 879 CO -0.06 0.18 1.61 -2.16 0.00 0.00 0.00 175.10 174.67 2a74 s PRO 880 N 1.50 4.18 -0.00 2.72 0.04 -1.26 0.24 135.00 142.42 2a74 s PRO 880 Ca 0.00 2.45 0.07 0.00 0.04 0.00 0.00 61.00 63.56 2a74 s PRO 880 Cb -0.16 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2a74 s PRO 880 CO -0.08 -0.64 0.23 1.28 0.04 0.00 0.00 177.00 177.83 2a74 n LEU 881 N 3.74 0.18 -3.98 -3.56 4.77 0.26 -0.29 117.00 118.12 2a74 n LEU 881 Ca 0.14 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.69 2a74 n LEU 881 Cb 0.37 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2a74 n LEU 881 CO 0.62 0.05 -0.40 -1.59 -1.33 0.00 0.00 177.39 174.74 2a74 s LYS 882 N -2.02 0.41 0.82 3.23 -2.85 -1.23 -4.88 119.74 113.22 2a74 s LYS 882 Ca 0.00 -0.33 -0.12 0.00 -1.00 0.00 0.00 55.97 54.52 2a74 s LYS 882 Cb 0.05 -0.33 0.09 0.00 -2.06 0.00 0.00 37.83 35.57 2a74 s LYS 882 CO 0.29 0.08 1.15 0.95 0.10 0.00 0.00 175.35 177.92 2a74 s THR 883 N -0.48 2.24 0.00 3.79 -4.23 -1.26 -4.76 115.64 110.94 2a74 s THR 883 Ca -0.02 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2a74 s THR 883 Cb -0.04 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2a74 s THR 883 CO -0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2a74 n GLY 884 N -2.93 -1.79 3.59 3.99 0.00 0.08 -4.86 105.19 103.27 2a74 n GLY 884 Ca 0.07 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2a74 n GLY 884 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a74 s LEU 885 N 0.00 3.51 0.31 0.99 2.96 -1.26 -0.73 118.68 124.46 2a74 s LEU 885 Ca 0.00 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.34 2a74 s LEU 885 Cb 0.00 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.32 2a74 s LEU 885 CO 0.00 -1.44 -0.06 -1.10 -1.32 0.00 0.00 176.35 172.43 2a74 s GLN 886 N 4.89 1.99 -0.02 1.98 -1.52 -0.73 -4.94 119.66 121.31 2a74 s GLN 886 Ca 0.48 -1.70 0.06 0.00 -1.95 0.00 0.00 55.36 52.25 2a74 s GLN 886 Cb -0.09 -1.92 -0.01 0.00 -0.22 0.00 0.00 33.01 30.78 2a74 s GLN 886 CO 0.28 0.24 -0.20 -2.00 -0.25 0.00 0.00 175.29 173.36 2a74 s GLU 887 N -3.64 1.74 -0.09 2.91 2.12 -1.26 -0.80 118.70 119.68 2a74 s GLU 887 Ca 0.32 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2a74 s GLU 887 Cb -0.03 -1.63 -0.02 0.00 0.26 0.00 0.00 34.13 32.72 2a74 s GLU 887 CO 0.18 0.40 -0.15 0.08 -0.54 0.00 0.00 175.26 175.23 2a74 s VAL 888 N -0.36 2.89 -0.06 3.70 1.01 0.70 -4.97 120.40 123.31 2a74 s VAL 888 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2a74 s VAL 888 Cb -0.09 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2a74 s VAL 888 CO 0.00 0.56 -0.04 -0.70 0.00 0.00 0.00 175.10 174.92 2a74 s GLU 889 N -0.10 0.85 0.14 2.72 2.12 -1.26 -1.38 118.70 121.78 2a74 s GLU 889 Ca -0.02 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.32 2a74 s GLU 889 Cb -0.14 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 2a74 s GLU 889 CO 0.04 -0.16 -0.18 0.14 -0.54 0.00 0.00 175.26 174.55 2a74 s VAL 890 N 1.31 1.68 0.06 3.70 -7.23 -0.87 -1.46 120.40 117.59 2a74 s VAL 890 Ca -0.05 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2a74 s VAL 890 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2a74 s VAL 890 CO -0.02 -0.26 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.92 2a74 s LYS 891 N -2.50 0.63 -0.03 4.82 1.02 -0.82 -0.83 119.74 122.03 2a74 s LYS 891 Ca 0.11 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.86 2a74 s LYS 891 Cb -0.07 -0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 2a74 s LYS 891 CO 0.05 -0.05 0.31 0.00 -0.92 0.00 0.00 175.35 174.74 2a74 s ALA 892 N -3.10 -0.77 0.03 5.17 0.00 0.88 -0.96 121.76 123.02 2a74 s ALA 892 Ca 0.03 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2a74 s ALA 892 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2a74 s ALA 892 CO -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 175.76 175.44 2a74 s ALA 893 N -1.11 0.26 -0.07 0.00 0.00 -0.82 -0.39 121.76 119.62 2a74 s ALA 893 Ca -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2a74 s ALA 893 Cb -0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2a74 s ALA 893 CO 0.04 -0.26 0.07 0.14 0.00 0.00 0.00 175.76 175.75 2a74 s VAL 894 N -2.58 4.83 0.38 0.00 -7.23 -0.63 -0.90 120.40 114.26 2a74 s VAL 894 Ca -0.05 -0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 59.70 2a74 s VAL 894 Cb -0.02 -3.11 -0.09 0.00 0.56 0.00 0.00 36.38 33.72 2a74 s VAL 894 CO -0.05 0.53 1.27 -0.31 -0.31 0.00 0.00 175.10 176.23 2a74 s TYR 895 N -1.03 2.97 0.00 2.82 1.51 -0.66 -3.80 117.35 119.17 2a74 s TYR 895 Ca 0.17 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 2a74 s TYR 895 Cb -0.12 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.13 2a74 s TYR 895 CO 0.06 -1.80 0.00 0.72 -1.11 0.00 0.00 175.55 173.42 2a74 n HIS 896 N 0.36 0.00 -4.28 2.71 8.25 -0.62 -4.79 115.22 116.85 2a74 n HIS 896 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 2a74 n HIS 896 Cb 0.44 -0.53 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 2a74 n HIS 896 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a74 s HIS 897 N -2.82 1.37 -0.48 4.41 3.76 -1.25 -5.05 115.29 115.22 2a74 s HIS 897 Ca 0.00 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.01 2a74 s HIS 897 Cb 0.00 -0.76 0.30 0.00 1.11 0.00 0.00 32.58 33.23 2a74 s HIS 897 CO 0.00 -0.04 2.08 0.34 -0.85 0.00 0.00 174.74 176.27 2a74 n PHE 898 N -0.29 2.25 -4.20 1.40 7.35 -1.26 -4.68 117.46 118.03 2a74 n PHE 898 Ca -0.07 -2.39 -0.35 0.00 -0.76 0.00 0.00 57.45 53.88 2a74 n PHE 898 Cb 0.62 -1.19 -0.10 0.00 0.35 0.00 0.00 39.48 39.17 2a74 n PHE 898 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2a74 s ILE 899 N -3.38 4.48 0.24 -2.13 -1.09 -1.26 -5.06 121.20 113.00 2a74 s ILE 899 Ca 0.47 -0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.55 2a74 s ILE 899 Cb 0.36 -2.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.30 2a74 s ILE 899 CO -0.04 0.52 0.58 -0.94 -1.23 0.00 0.00 174.94 173.83 2a74 s SER 900 N -0.08 -0.23 0.04 3.58 1.04 -1.26 -1.60 113.70 115.18 2a74 s SER 900 Ca 0.05 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.62 2a74 s SER 900 Cb -0.12 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.68 2a74 s SER 900 CO 0.02 -1.17 0.56 -0.62 0.98 0.00 0.00 173.24 173.00 2a74 s ASP 901 N -2.92 -0.49 -0.03 7.02 2.15 0.48 -4.98 116.67 117.89 2a74 s ASP 901 Ca 0.13 0.27 -0.05 0.00 0.43 0.00 0.00 52.55 53.33 2a74 s ASP 901 Cb -0.03 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.11 2a74 s ASP 901 CO 0.03 -0.71 0.13 -0.83 -0.17 0.00 0.00 175.17 173.62 2a74 s GLY 902 N -1.86 -0.04 -0.08 2.66 0.00 -1.26 -0.09 107.32 106.66 2a74 s GLY 902 Ca -0.06 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.85 2a74 s GLY 902 CO -0.00 0.09 -0.14 0.14 0.00 0.00 0.00 173.10 173.19 2a74 s VAL 903 N -0.46 1.30 -0.23 1.40 1.01 -0.01 0.10 120.40 123.51 2a74 s VAL 903 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2a74 s VAL 903 Cb -0.04 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.21 2a74 s VAL 903 CO 0.01 0.40 -0.12 -0.60 0.00 0.00 0.00 175.10 174.78 2a74 s ARG 904 N 0.73 2.30 0.12 2.72 3.52 -0.43 -2.06 118.95 125.85 2a74 s ARG 904 Ca -0.13 -1.13 0.04 0.00 -0.13 0.00 0.00 55.73 54.39 2a74 s ARG 904 Cb -0.16 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2a74 s ARG 904 CO 0.03 -0.48 -0.11 0.15 -0.81 0.00 0.00 175.30 174.08 2a74 s LYS 905 N 1.21 0.95 0.15 5.12 1.02 -0.48 -4.43 119.74 123.28 2a74 s LYS 905 Ca -0.05 -1.25 0.04 0.00 0.02 0.00 0.00 55.97 54.73 2a74 s LYS 905 Cb -0.18 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 2a74 s LYS 905 CO -0.07 0.11 0.19 -1.12 -0.92 0.00 0.00 175.35 173.53 2a74 s SER 906 N -2.63 5.84 0.07 2.83 0.01 -1.26 -0.22 113.70 118.34 2a74 s SER 906 Ca 0.09 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.36 2a74 s SER 906 Cb -0.02 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 2a74 s SER 906 CO 0.01 0.07 -0.05 -1.48 0.41 0.00 0.00 173.24 172.20 2a74 s LEU 907 N -3.09 2.45 -0.20 2.44 2.34 0.02 -4.95 118.68 117.69 2a74 s LEU 907 Ca 0.32 -0.91 -0.29 0.00 0.06 0.00 0.00 54.13 53.31 2a74 s LEU 907 Cb -0.11 0.01 0.00 0.00 -0.56 0.00 0.00 46.19 45.54 2a74 s LEU 907 CO 0.25 -0.46 1.04 -0.54 -1.06 0.00 0.00 176.35 175.59 2a74 s LYS 908 N -3.39 4.29 -0.20 1.48 1.02 -1.13 -1.76 119.74 120.04 2a74 s LYS 908 Ca 0.05 1.38 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 2a74 s LYS 908 Cb 0.03 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2a74 s LYS 908 CO -0.05 -0.57 0.29 0.08 -0.92 0.00 0.00 175.35 174.18 2a74 s VAL 909 N 2.96 5.28 -0.00 3.17 1.01 0.09 -0.69 120.40 132.22 2a74 s VAL 909 Ca 0.45 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.97 2a74 s VAL 909 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2a74 s VAL 909 CO 0.09 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 2a74 s VAL 910 N 0.94 3.25 0.89 2.92 1.01 0.43 -0.74 120.40 129.10 2a74 s VAL 910 Ca 0.15 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2a74 s VAL 910 Cb -0.14 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.01 2a74 s VAL 910 CO 0.05 0.44 1.15 -2.16 0.00 0.00 0.00 175.10 174.58 2a74 s PRO 911 N -1.22 1.18 0.00 2.72 0.04 -1.26 0.36 135.00 136.82 2a74 s PRO 911 Ca 0.15 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.75 2a74 s PRO 911 Cb -0.11 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2a74 s PRO 911 CO 0.05 -2.51 0.65 0.39 0.04 0.00 0.00 177.00 175.62